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	hartrees
Energy at 0K	-475.646137
Energy at 298.15K
HF Energy	-475.646137
Nuclear repulsion energy	108.676969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3060	3040	13.36	94.46	0.68	0.81
2	A₁	2971	2952	30.51	224.78	0.00	0.00
3	A₁	1519	1509	0.27	37.66	0.75	0.86
4	A₁	1386	1377	1.40	8.85	0.21	0.35
5	A₁	1057	1050	21.01	9.52	0.64	0.78
6	A₁	632	628	3.24	13.88	0.18	0.30
7	A₁	253	251	0.12	2.59	0.61	0.76
8	A₂	3043	3023	0.00	14.80	0.75	0.86
9	A₂	1498	1488	0.00	51.85	0.75	0.86
10	A₂	958	951	0.00	9.64	0.75	0.86
11	A₂	184	183	0.00	0.09	0.75	0.86
12	B₁	3038	3018	39.34	109.54	0.75	0.86
13	B₁	1507	1497	19.25	0.00	0.75	0.86
14	B₁	994	988	12.85	8.23	0.75	0.86
15	B₁	174	173	1.24	0.01	0.75	0.86
16	B₂	3060	3040	4.55	51.77	0.75	0.86
17	B₂	2973	2954	26.78	1.06	0.75	0.86
18	B₂	1510	1501	22.70	0.13	0.75	0.86
19	B₂	1363	1354	2.90	9.54	0.75	0.86
20	B₂	924	918	0.80	3.49	0.75	0.86
21	B₂	677	672	0.11	7.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.676
C2	0.000	1.408	-0.526
C3	0.000	-1.408	-0.526
H4	0.000	2.335	0.067
H5	0.000	-2.335	0.067
H6	0.902	1.385	-1.158
H7	-0.902	1.385	-1.158
H8	-0.902	-1.385	-1.158
H9	0.902	-1.385	-1.158

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8518	1.8518	2.4134	2.4134	2.4690	2.4690	2.4690	2.4690
C2	1.8518		2.8167	1.1007	3.7904	1.1014	1.1014	3.0025	3.0025
C3	1.8518	2.8167		3.7904	1.1007	3.0025	3.0025	1.1014	1.1014
H4	2.4134	1.1007	3.7904		4.6706	1.7939	1.7939	4.0193	4.0193
H5	2.4134	3.7904	1.1007	4.6706		4.0193	4.0193	1.7939	1.7939
H6	2.4690	1.1014	3.0025	1.7939	4.0193		1.8036	3.3052	2.7698
H7	2.4690	1.1014	3.0025	1.7939	4.0193	1.8036		2.7698	3.3052
H8	2.4690	3.0025	1.1014	4.0193	1.7939	3.3052	2.7698		1.8036
H9	2.4690	3.0025	1.1014	4.0193	1.7939	2.7698	3.3052	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.883	S1	C2	H6	110.878
S1	C2	H7	110.878	S1	C3	H5	106.883
S1	C3	H8	110.878	S1	C3	H9	110.878
C2	S1	C3	99.020	H4	C2	H6	109.105
H4	C2	H7	109.105	H5	C3	H8	109.105
H5	C3	H9	109.105	H6	C2	H7	109.915
H8	C3	H9	109.915

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)

using model chemistry: BLYP/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	0.144
2	C	-0.682
3	C	-0.682
4	H	0.209
5	H	0.209
6	H	0.200
7	H	0.200
8	H	0.200
9	H	0.200

<r²>	78.460
(<r²>)^1/2	8.858

All results from a given calculation for CH3SCH3 (Dimethyl sulfide)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)